4-methyl-5-(phenoxymethyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-5-(phenoxymethyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(phenoxymethyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(phenoxymethyl)-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-(phenoxymethyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(phenoxymethyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=CC=CC=C3)COC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=CC=CC=C3)COC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-24-21(16-27-20-10-6-3-7-11-20)23-26(22(24)28)17-25-14-12-19(13-15-25)18-8-4-2-5-9-18/h2-11,19H,12-17H2,1H3/p+1